Geometry & MOs

Info

ID:	217750
PubChem CID:	85088322
Reduced:	C29H46 (1)
Stoich.:	A29B46 (1)
Weight, g/mol:	394.053191
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	1.35
IP(EA), eV:	-8.89(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C2CCC3C(C2=CC=C1)CCC4(C3CCC4C(C)CC(C)C(C)C(C)C)C

DOS

IR

Vibrations