Geometry & MOs

Info

ID:	43794
PubChem CID:	10321800
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	455.285801
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	5.88
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,3-trimethyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxopentyl)phenyl]pentan-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(C2=CN=C(C=C2)S(=O)(=O)C3CC3)C(=O)NC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations