Geometry & MOs

Info

ID:	41785
PubChem CID:	8147110
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCCSCC3=CC=CO3

DOS

IR

Vibrations