Geometry & MOs

Info

ID:	75068
PubChem CID:	48422942
Reduced:	ClN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	4.95
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)C2=CC=CC=C2Cl

DOS

IR

Vibrations