Geometry & MOs

Info

ID:	347503
PubChem CID:	127272358
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	364.211055
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	4.28
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations