Geometry & MOs

Info

ID:	298262
PubChem CID:	117648167
Reduced:	CH2S3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	497.255066
ΔH_f, kcal/mol:	26.07
Dipole, Da:	4.55
IP(EA), eV:	-8.46(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-3-[[5-cyano-6-[(1,3-dimethylindazol-5-yl)amino]-3-fluoropyridin-2-yl]amino]-4-methoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=S)SSSSSSSS

DOS

IR

Vibrations