Geometry & MOs

Info

ID:	34821
PubChem CID:	7978971
Reduced:	SO2N4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	359.112605
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	6.76
IP(EA), eV:	-8.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations