Geometry & MOs

Info

ID:	74159
PubChem CID:	48421530
Reduced:	O2N7C18H31 (1)
Stoich.:	A2B7C18D31 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	5.57
IP(EA), eV:	-8.39(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CN(N=C3)CC(=O)N

DOS

IR

Vibrations