Geometry & MOs

Info

ID:	283043
PubChem CID:	103955035
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	20.0
Dipole, Da:	3.51
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-hydroxy-3-methylbenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N(C)CCSC)N

DOS

IR

Vibrations