Geometry & MOs

Info

ID:	302725
PubChem CID:	124393628
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	7.5
IP(EA), eV:	-8.67(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-2-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC=C(C=C3)OCC(=O)N4CCCC4)C=CS2)C

DOS

IR

Vibrations