Geometry & MOs

Info

ID:

215649

PubChem CID:

85085030

Reduced:

N17O17C45H75 (1)

Stoich.:

A17B17C45D75 (1)

Weight, g/mol:

1125.480748

ΔHf, kcal/mol:

-751.71

Dipole, Da:

15.49

IP(EA), eV:

 -9.3(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-[[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]carbamoyl]-3,5,10-trioxo-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-8-en-11-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C(C)NC(=O)C(CO)N

DOS

IR

Vibrations