Geometry & MOs

Info

ID:	38825
PubChem CID:	8137988
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	403.210721
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	4.31
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations