Geometry & MOs

Info

ID:	68363
PubChem CID:	46508264
Reduced:	N3O4C16H29 (1)
Stoich.:	A3B4C16D29 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-222.72
Dipole, Da:	4.91
IP(EA), eV:	-9.33(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC(=O)NCC(C)C

DOS

IR

Vibrations