Geometry & MOs

Info

ID:	174339
PubChem CID:	75754560
Reduced:	N2O2C33H50 (1)
Stoich.:	A2B2C33D50 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	2.89
IP(EA), eV:	-9.24(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[tert-butyl-[1-(cyclohexylamino)-1-oxopent-3-en-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations