Geometry & MOs

Info

ID:	139542
PubChem CID:	52552709
Reduced:	ClSO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	366.115047
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	13.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755976
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(carbamoylamino)phenyl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3CC(=O)N4C=CSC4[NH2+]3)Cl

DOS

IR

Vibrations