Geometry & MOs

Info

ID:	43618
PubChem CID:	10321551
Reduced:	ClN4O5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	450.112854
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	7.18
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C(C=C(N1)COCCN(CC(=O)N)CC(=O)N)C2=CC=CC=C2Cl)C(=O)OC

DOS

IR

Vibrations