Geometry & MOs

Info

ID:

163924

PubChem CID:

74380844

Reduced:

SO13N18C48H84 (1)

Stoich.:

AB13C18D48E84 (1)

Weight, g/mol:

465.310376

ΔHf, kcal/mol:

-620.67

Dipole, Da:

13.28

IP(EA), eV:

 -8.97(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(dimethylamino)propylamino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)N)O

DOS

IR

Vibrations