Geometry & MOs

Info

ID:	233908
PubChem CID:	92192363
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	380.078383
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	1.92
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-3-(2-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC(=O)[C@@H]2CCC(=O)N2CC3=CC=CC=C3Cl

DOS

IR

Vibrations