Geometry & MOs

Info

ID:	37133
PubChem CID:	8017273
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	6.39
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H](C)OC2=CC=CC(=C2C)C

DOS

IR

Vibrations