Geometry & MOs

Info

ID:	188188
PubChem CID:	77679983
Reduced:	FNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	546.247835
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	5.13
IP(EA), eV:	-9.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[[2-[(6-methylpyridine-2-carbonyl)amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]phenyl]propanoate

Drug info:

PubChemData

Smile

COC1=C2C(=NC=CC2=O)C=CC1F

DOS

IR

Vibrations