Geometry & MOs

Info

ID:	225121
PubChem CID:	85741852
Reduced:	SO3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	451.214744
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	6.13
IP(EA), eV:	-9.0(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 2-[benzhydryl(methyl)amino]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(O2)C4=CC=CC=C4S3(=O)=O

DOS

IR

Vibrations