Geometry & MOs

Info

ID:	313350
PubChem CID:	126614046
Reduced:	O2F3N6C25H29 (1)
Stoich.:	A2B3C6D25E29 (1)
Weight, g/mol:	460.193297
ΔH_f, kcal/mol:	-161.95
Dipole, Da:	2.27
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CNC(=O)OC2=CN(N=C2C(F)(F)F)CC3=CC(=NC=C3)N4CCCC4)C)CN

DOS

IR

Vibrations