Geometry & MOs

Info

ID:	219086
PubChem CID:	85090466
Reduced:	N3O4C34H35 (1)
Stoich.:	A3B4C34D35 (1)
Weight, g/mol:	549.323643
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	2.38
IP(EA), eV:	-8.2(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[1-[1-(benzenesulfonyl)hept-1-en-3-ylamino]-5-methyl-1-oxohexan-2-yl]-5-methylhexanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C3=CC=CC(C3=N2)C(=O)NC4=C(C=C(C=C4)CCN(C)CC5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations