Geometry & MOs

Info

ID:	49398
PubChem CID:	11532969
Reduced:	SO3N5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	5.58
Dipole, Da:	6.25
IP(EA), eV:	-8.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl N-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)N4C=CC5=CC=CC=C54)CCCSC(=N)N

DOS

IR

Vibrations