Geometry & MOs

Info

ID:	185348
PubChem CID:	77288312
Reduced:	IN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	423.24433
ΔH_f, kcal/mol:	51.28
Dipole, Da:	5.08
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-decylsulfanyl-1-methoxy-1-oxo-5-phenylpentan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1CC(NC1)C2=NC3=C(N2)C=C(C=C3)I

DOS

IR

Vibrations