Geometry & MOs

Info

ID:	182206
PubChem CID:	76858780
Reduced:	SN4O4C19H30 (1)
Stoich.:	AB4C4D19E30 (1)
Weight, g/mol:	417.018619
ΔH_f, kcal/mol:	-172.41
Dipole, Da:	7.67
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(S2)CC)C)N

DOS

IR

Vibrations