Geometry & MOs

Info

ID:	49262
PubChem CID:	11532400
Reduced:	ClNPO4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	445.008839
ΔH_f, kcal/mol:	-193.12
Dipole, Da:	4.55
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(E)-1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamothioylamino]propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC2=CC=CC3=CC=CC=C32)Cl

DOS

IR

Vibrations