Geometry & MOs

Info

ID:	393515
PubChem CID:	135020880
Reduced:	O3N6C22H23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	521.263819
ΔH_f, kcal/mol:	45.32
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976928
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(3S)-7-azido-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])/C(=C/[N+]#N)/O

DOS

IR

Vibrations