Geometry & MOs

Info

ID:	34801
PubChem CID:	7978950
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	2.7
IP(EA), eV:	-9.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(2-methoxyphenyl)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations