Geometry & MOs

Info

ID:	155611
PubChem CID:	56366291
Reduced:	N2S2O4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	4.12
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CCCNC(=O)C4=CC=CS4

DOS

IR

Vibrations