Geometry & MOs

Info

ID:	173003
PubChem CID:	75582673
Reduced:	N3O9C23H27 (1)
Stoich.:	A3B9C23D27 (1)
Weight, g/mol:	514.152016
ΔH_f, kcal/mol:	-148.19
Dipole, Da:	5.34
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)ethyl N-[5-methyl-3-[4-[4-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2C(C(C3C(C(C(C2(O3)N4CCCC4)O1)C5=CC=CO5)[N+](=O)[O-])[N+](=O)[O-])C6=CC=CO6)C

DOS

IR

Vibrations