Geometry & MOs

Info

ID:	76157
PubChem CID:	48424518
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	387.159434
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	2.22
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[(2-fluorobenzoyl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

DOS

IR

Vibrations