Geometry & MOs

Info

ID:	442830
PubChem CID:	135256494
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	533.263819
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	4.72
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[1-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]indazol-3-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(NCCC1=NC2=CC=CC=C2N1)O

DOS

IR

Vibrations