Geometry & MOs

Info

ID:	299911
PubChem CID:	117930936
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	608.12896
ΔH_f, kcal/mol:	53.9
Dipole, Da:	1.09
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(benzenesulfonamido)-2,5-difluorobenzoyl]amino]-3-[5-(1-methyl-3-oxopyrazolo[3,4-c]pyridin-2-yl)pyridin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C2=CC=C(C=C2)S

DOS

IR

Vibrations