Geometry & MOs

Info

ID:	176964
PubChem CID:	76118314
Reduced:	SN2O4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	729.246849
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	3.5
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-oxoazetidine-2-carboxylate

Drug info:

PubChemData

Smile

COC=C(C1=CC=CC=C1OC2=NC(=NS2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations