Geometry & MOs

Info

ID:	85423
PubChem CID:	49874993
Reduced:	ClNS2O4H8C9 (1)
Stoich.:	ABC2D4E8F9 (1)
Weight, g/mol:	427.052418
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	4.12
IP(EA), eV:	-10.12(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2-aminoacetyl)amino]-4-(2-chlorobenzoyl)thiophen-2-yl]-N-(2-chloroethyl)propanamide

Drug info:

PubChemData

Smile

C1=C(SC2=C1S(=O)(=O)N(C2=O)CCCC=O)Cl

DOS

IR

Vibrations