Geometry & MOs

Info

ID:	148058
PubChem CID:	53787720
Reduced:	N3C16H35 (1)
Stoich.:	A3B16C35 (1)
Weight, g/mol:	483.146407
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	4.47
IP(EA), eV:	-8.21(2.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyl)-3-nitrophenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCCN1CCC(CC1)N

DOS

IR

Vibrations