Geometry & MOs

Info

ID:	170129
PubChem CID:	75201048
Reduced:	O3N6H18C23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	91.43
Dipole, Da:	11.36
IP(EA), eV:	-9.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[methyl(2-phenylethenylsulfonyl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC(=O)C(=CC3=CC=CO3)N4C(=NN=N4)C5=CC=CC=C5

DOS

IR

Vibrations