Geometry & MOs

Info

ID:	148112
PubChem CID:	53787774
Reduced:	N2F3O7C19H19 (1)
Stoich.:	A2B3C7D19E19 (1)
Weight, g/mol:	523.283492
ΔH_f, kcal/mol:	-328.33
Dipole, Da:	4.45
IP(EA), eV:	-10.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-cyclohexylbenzoyl)amino]-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)OCCO[N+](=O)[O-])C

DOS

IR

Vibrations