Geometry & MOs

Info

ID:	433252
PubChem CID:	135173389
Reduced:	SN4O6C30H32 (1)
Stoich.:	AB4C6D30E32 (1)
Weight, g/mol:	544.214427
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	1.76
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]anilino]sulfanylphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC(=CC=C3)N(CCNC(=O)C=C)C(=O)C=C

DOS

IR

Vibrations