Geometry & MOs

Info

ID:	13996
PubChem CID:	401362
Reduced:	NSO5C27H31 (1)
Stoich.:	ABC5D27E31 (1)
Weight, g/mol:	481.192294
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	6.44
IP(EA), eV:	-8.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations