Geometry & MOs

Info

ID:

168987

PubChem CID:

75050583

Reduced:

SN29O29C92H151 (1)

Stoich.:

AB29C29D92E151 (1)

Weight, g/mol:

973.397018

ΔHf, kcal/mol:

-1365.29

Dipole, Da:

8.41

IP(EA), eV:

 -8.76(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[(4a,10-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)amino]-2-oxoethoxy]acetyl]hydrazinyl]-2-oxoethoxy]-N-[2-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenoxy]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)N

DOS

IR

Vibrations