Geometry & MOs

Info

ID:	321038
PubChem CID:	126664502
Reduced:	ClFSN4O4C31H44 (1)
Stoich.:	ABCD4E4F31G44 (1)
Weight, g/mol:	322.088434
ΔH_f, kcal/mol:	-178.5
Dipole, Da:	5.01
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-fluorophenyl)-3-(2-propan-2-yloxypyrimidin-5-yl)propanoyl chloride

Drug info:

PubChemData

Smile

CC1(CC(CCO1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)N)C

DOS

IR

Vibrations