Geometry & MOs

Info

ID:	37132
PubChem CID:	8017264
Reduced:	NOSC10H12 (2)
Stoich.:	ABCD10E12 (2)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-63.48
Dipole, Da:	6.38
IP(EA), eV:	-8.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations