Geometry & MOs

Info

ID:

179415

PubChem CID:

76479712

Reduced:

S2N3O8C30H43 (1)

Stoich.:

A2B3C8D30E43 (1)

Weight, g/mol:

872.391085

ΔHf, kcal/mol:

-306.84

Dipole, Da:

11.11

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-(2,3,12,13,22,24-hexahydroporphyrin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CC2CCCN2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations