Geometry & MOs

Info

ID:	150488
PubChem CID:	53790180
Reduced:	O3N7C31H33 (1)
Stoich.:	A3B7C31D33 (1)
Weight, g/mol:	379.07574
ΔH_f, kcal/mol:	19.41
Dipole, Da:	2.9
IP(EA), eV:	-8.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(carbamothioylamino)-4-(4-chloro-2,5-dimethoxyphenyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C4=NNN=N4)C5=C(C=CC=C5C(C)(C)C)C(=O)O

DOS

IR

Vibrations