Geometry & MOs

Info

ID:	39371
PubChem CID:	8140505
Reduced:	O2N3C24H36 (1)
Stoich.:	A2B3C24D36 (1)
Weight, g/mol:	387.149087
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985018
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations