Geometry & MOs

Info

ID:	45045
PubChem CID:	10507465
Reduced:	N4S4O7H20C22 (1)
Stoich.:	A4B4C7D20E22 (1)
Weight, g/mol:	580.229683
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	2.64
IP(EA), eV:	-8.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diphenyl-3-[2-(1-tritylsulfanylimidazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSSC3=CC=CC=C3[N+](=O)[O-])SSC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations