Geometry & MOs

Info

ID:	36938
PubChem CID:	8015079
Reduced:	NO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	2.25
IP(EA), eV:	-8.64(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-(2,5-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations