Geometry & MOs

Info

ID:	444983
PubChem CID:	135264153
Reduced:	N4O5C38H42 (1)
Stoich.:	A4B5C38D42 (1)
Weight, g/mol:	572.213364
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	5.8
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-(4-carbazol-9-ylphenyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C/C=C/CCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)NCCC(=O)O)NC(=O)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations