Geometry & MOs

Info

ID:	243509
PubChem CID:	99225463
Reduced:	SO2N6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	25.0
Dipole, Da:	2.14
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-methylpyridin-2-yl)amino]-3-oxopropyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

DOS

IR

Vibrations