Geometry & MOs

Info

ID:	75682
PubChem CID:	48423842
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	3.98
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(5-methylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations