Geometry & MOs

Info

ID:	135739
PubChem CID:	51924379
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	385.130553
ΔH_f, kcal/mol:	-221.07
Dipole, Da:	5.01
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)CN3CCNC(=O)[C@@H]3CC(=O)OC

DOS

IR

Vibrations