Geometry & MOs

Info

ID:	38933
PubChem CID:	8138188
Reduced:	SN4O4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	395.04807
ΔH_f, kcal/mol:	7.63
Dipole, Da:	6.46
IP(EA), eV:	-9.15(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-5-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)[N+](=O)[O-]

DOS

IR

Vibrations