Geometry & MOs

Info

ID:	80074
PubChem CID:	49832674
Reduced:	SN2O3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	631.344148
ΔH_f, kcal/mol:	-47.86
Dipole, Da:	4.88
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) N-[4-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)N2C(=O)C3C4C=CC(C3C2=O)O4

DOS

IR

Vibrations