Geometry & MOs

Info

ID:	149169
PubChem CID:	53788841
Reduced:	IN2P2C9O11H13 (1)
Stoich.:	AB2C2D9E11F13 (1)
Weight, g/mol:	481.130757
ΔH_f, kcal/mol:	-584.8
Dipole, Da:	8.34
IP(EA), eV:	-9.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[amino-[2-(pyridine-4-carbonyl)phenyl]methyl]-(4-methoxyphenyl)sulfonylamino]prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations