Geometry & MOs

Info

ID:	313359
PubChem CID:	126614069
Reduced:	SO2N4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	1.9
Dipole, Da:	7.64
IP(EA), eV:	-8.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dimethyl-1-[(6-phenylpyridin-2-yl)methyl]pyrrol-3-yl] N-[[4-(aminomethyl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CSC(=N2)C3=CC=CC=C3)C)C(=O)NCC4=CC(=C(C=C4)CN)OC

DOS

IR

Vibrations