Geometry & MOs

Info

ID:	193950
PubChem CID:	78459498
Reduced:	SN4O5C18H29 (1)
Stoich.:	AB4C5D18E29 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-165.18
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752324
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC[NH+](C)C

DOS

IR

Vibrations