Geometry & MOs

Info

ID:	65426
PubChem CID:	29214933
Reduced:	SN7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	186.41
Dipole, Da:	7.22
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=N\NC3=NN=C(N3N)SCC4=CC=NC=C4

DOS

IR

Vibrations