Geometry & MOs

Info

ID:	155938
PubChem CID:	56368379
Reduced:	BrClN4O4C19H26 (1)
Stoich.:	ABC4D4E19F26 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	5.63
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations