Geometry & MOs

Info

ID:	188067
PubChem CID:	77663550
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	560.094404
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	1.96
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl N-[3-[(5-chlorothiophene-2-carbonyl)amino]-1-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3C=C(C=CC3C2=O)C(=O)OC(C)C

DOS

IR

Vibrations