Geometry & MOs

Info

ID:	318717
PubChem CID:	126652835
Reduced:	NSC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	554.163124
ΔH_f, kcal/mol:	45.42
Dipole, Da:	1.69
IP(EA), eV:	-8.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[benzoyl-[[2-chloro-4-(1-methylindazol-5-yl)phenyl]-deuteriomethyl]amino]-5-fluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CCS3

DOS

IR

Vibrations