Geometry & MOs

Info

ID:	313351
PubChem CID:	126614050
Reduced:	SO2N4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	464.168225
ΔH_f, kcal/mol:	6.09
Dipole, Da:	5.17
IP(EA), eV:	-8.25(-1.03)
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)-3-fluorophenyl]methyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations