Geometry & MOs

Info

ID:	166704
PubChem CID:	74723469
Reduced:	NS2O5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	401.161366
ΔH_f, kcal/mol:	-92.38
Dipole, Da:	8.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905524
Charge, e:	1

Chem-info

IUPAC name:

[(4-methoxyphenyl)-phenylmethyl]-[2-oxo-2-[(2-oxobenzimidazol-5-yl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

DOS

IR

Vibrations