Geometry & MOs

Info

ID:

191825

PubChem CID:

78191371

Reduced:

SN2O2C20H22 (1)

Stoich.:

AB2C2D20E22 (1)

Weight, g/mol:

950.67262

ΔHf, kcal/mol:

-37.21

Dipole, Da:

0.74

IP(EA), eV:

 -9.09(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(cyclohexylmethyl)amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCCC3=CC=CC=C3

DOS

IR

Vibrations